#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 n GLY 2 N 0.00 -1.76 2.85 3.03 0.00 -1.26 -5.08 105.19 102.96 2ka5 n GLY 2 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2ka5 n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ka5 s SER 3 N -0.67 0.92 0.52 1.61 0.15 -1.26 -5.16 113.70 109.80 2ka5 s SER 3 Ca 0.01 -0.59 0.08 0.00 0.70 0.00 0.00 55.95 56.15 2ka5 s SER 3 Cb -0.00 0.85 0.08 0.00 -1.71 0.00 0.00 66.02 65.24 2ka5 s SER 3 CO 0.07 -0.36 0.66 -0.90 1.20 0.00 0.00 173.24 173.90 2ka5 n ASP 4 N 5.28 2.04 0.00 5.45 5.75 -1.26 -5.15 116.55 128.67 2ka5 n ASP 4 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 2ka5 n ASP 4 Cb 0.48 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2ka5 n ASP 4 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ka5 n LYS 5 N -2.05 0.00 -2.96 0.11 5.02 -1.26 -5.13 118.16 111.89 2ka5 n LYS 5 Ca 0.12 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2ka5 n LYS 5 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.55 2ka5 n LYS 5 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2ka5 n ILE 6 N -1.23 -6.13 -3.96 -0.18 -0.00 -1.26 -5.07 119.36 101.53 2ka5 n ILE 6 Ca 0.00 1.10 -0.10 0.00 -0.00 0.00 0.00 62.75 63.74 2ka5 n ILE 6 Cb 0.00 -4.51 -0.03 0.00 -0.00 0.00 0.00 39.64 35.10 2ka5 n ILE 6 CO 0.00 0.00 0.00 -1.38 -0.00 0.00 0.00 176.55 175.17 2ka5 s HIS 7 N -0.98 0.44 0.36 1.39 -3.43 -1.26 -5.19 115.29 106.61 2ka5 s HIS 7 Ca -0.04 -0.86 -0.09 0.00 -0.80 0.00 0.00 55.06 53.27 2ka5 s HIS 7 Cb 0.00 0.34 0.03 0.00 -1.43 0.00 0.00 32.58 31.52 2ka5 s HIS 7 CO 0.33 -1.22 0.62 -3.38 -2.00 0.00 0.00 174.74 169.09 2ka5 s HIS 8 N -3.28 0.58 -0.95 0.38 -3.43 -1.26 -5.02 115.29 102.31 2ka5 s HIS 8 Ca 0.22 -1.02 0.00 0.00 -0.80 0.00 0.00 55.06 53.46 2ka5 s HIS 8 Cb -0.02 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 2ka5 s HIS 8 CO 0.13 -1.32 0.00 1.58 -2.00 0.00 0.00 174.74 173.12 2ka5 n HIS 9 N -0.54 -0.24 -3.79 0.38 -0.00 -1.26 -4.98 115.22 104.78 2ka5 n HIS 9 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.39 2ka5 n HIS 9 Cb 0.61 -2.17 -0.15 0.00 -0.00 0.00 0.00 29.99 28.27 2ka5 n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ka5 s HIS 10 N -2.43 2.04 -0.26 1.57 3.76 -1.26 -5.09 115.29 113.62 2ka5 s HIS 10 Ca 0.00 -1.89 -0.04 0.00 -0.15 0.00 0.00 55.06 52.98 2ka5 s HIS 10 Cb 0.00 -1.86 0.14 0.00 1.11 0.00 0.00 32.58 31.97 2ka5 s HIS 10 CO 0.00 -0.87 0.50 -3.38 -0.85 0.00 0.00 174.74 170.14 2ka5 s HIS 11 N 1.50 -1.16 0.28 1.40 -3.43 -1.26 -5.05 115.29 107.58 2ka5 s HIS 11 Ca 0.08 1.47 -0.12 0.00 -0.80 0.00 0.00 55.06 55.70 2ka5 s HIS 11 Cb -0.18 0.37 0.05 0.00 -1.43 0.00 0.00 32.58 31.39 2ka5 s HIS 11 CO -0.20 -0.72 0.62 -2.39 -2.00 0.00 0.00 174.74 170.04 2ka5 n HIS 12 N 5.40 -1.94 -3.10 0.38 1.44 -1.26 -5.07 115.22 111.07 2ka5 n HIS 12 Ca -0.05 -1.36 -0.12 0.00 -2.01 0.00 0.00 57.72 54.18 2ka5 n HIS 12 Cb 0.50 0.68 0.01 0.00 0.12 0.00 0.00 29.99 31.30 2ka5 n HIS 12 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2ka5 n MET 13 N -0.42 -1.94 -3.65 -1.40 2.00 -1.26 -4.98 117.12 105.46 2ka5 n MET 13 Ca -0.06 1.71 -0.38 0.00 0.00 0.00 0.00 57.70 58.98 2ka5 n MET 13 Cb 0.45 -4.80 -0.08 0.00 0.00 0.00 0.00 33.22 28.79 2ka5 n MET 13 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2ka5 s PHE 14 N -2.57 3.55 -0.76 2.03 0.08 -1.26 -5.03 117.98 114.02 2ka5 s PHE 14 Ca 0.18 -2.70 -0.26 0.00 0.12 0.00 0.00 56.93 54.27 2ka5 s PHE 14 Cb -0.04 -3.29 0.04 0.00 -0.57 0.00 0.00 43.02 39.16 2ka5 s PHE 14 CO 0.79 -0.83 1.26 -1.25 -0.10 0.00 0.00 175.22 175.09 2ka5 s PRO 15 N -0.34 3.23 0.28 0.24 0.04 -1.26 -4.96 135.00 132.23 2ka5 s PRO 15 Ca 0.19 -0.43 -0.04 0.00 0.04 0.00 0.00 61.00 60.77 2ka5 s PRO 15 Cb -0.16 -4.33 0.01 0.00 0.04 0.00 0.00 34.50 30.07 2ka5 s PRO 15 CO -0.06 -2.11 0.43 2.48 0.04 0.00 0.00 177.00 177.79 2ka5 n TYR 16 N 9.07 -1.41 -4.05 0.56 0.18 -1.26 -1.35 117.16 118.90 2ka5 n TYR 16 Ca 0.06 -1.77 -0.09 0.00 1.88 0.00 0.00 57.90 57.97 2ka5 n TYR 16 Cb 0.49 0.50 -0.09 0.00 -0.38 0.00 0.00 39.34 39.86 2ka5 n TYR 16 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2ka5 s LYS 17 N -2.51 1.00 -0.12 -3.48 2.20 0.86 -4.93 119.74 112.75 2ka5 s LYS 17 Ca 0.21 -1.29 -0.01 0.00 -0.36 0.00 0.00 55.97 54.52 2ka5 s LYS 17 Cb -0.01 0.30 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2ka5 s LYS 17 CO 0.15 -0.32 -0.06 0.42 -0.36 0.00 0.00 175.35 175.18 2ka5 s ILE 18 N -4.00 0.94 0.00 5.43 1.01 -1.26 -0.89 121.20 122.43 2ka5 s ILE 18 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2ka5 s ILE 18 Cb 0.06 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2ka5 s ILE 18 CO -0.00 0.28 0.00 1.33 0.00 0.00 0.00 174.94 176.55 2ka5 n VAL 19 N 4.96 0.00 0.00 2.92 0.24 -0.45 -5.01 118.33 120.99 2ka5 n VAL 19 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2ka5 n VAL 19 Cb 0.49 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 2ka5 n VAL 19 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2ka5 n ASP 20 N -0.61 0.00 -0.64 -1.34 9.92 -1.26 -4.02 116.55 118.61 2ka5 n ASP 20 Ca 0.00 0.22 -0.00 0.00 -0.53 0.00 0.00 54.79 54.48 2ka5 n ASP 20 Cb 0.00 -0.11 -0.00 0.00 -0.64 0.00 0.00 41.12 40.37 2ka5 n ASP 20 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ka5 n ASP 21 N -2.09 0.00 -4.30 -2.24 8.00 -1.26 -5.11 116.55 109.55 2ka5 n ASP 21 Ca 0.00 -1.59 -0.19 0.00 0.71 0.00 0.00 54.79 53.71 2ka5 n ASP 21 Cb 0.00 -0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 40.91 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka5 s VAL 22 N 0.00 1.61 -0.13 2.53 1.01 -1.26 -4.60 120.40 119.56 2ka5 s VAL 22 Ca 0.03 -1.94 0.01 0.00 0.00 0.00 0.00 61.98 60.08 2ka5 s VAL 22 Cb 0.04 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2ka5 s VAL 22 CO -0.02 -0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 173.78 2ka5 s VAL 23 N -2.40 2.71 -0.46 2.92 1.01 -1.18 -1.34 120.40 121.64 2ka5 s VAL 23 Ca 0.15 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 2ka5 s VAL 23 Cb -0.04 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.30 2ka5 s VAL 23 CO 0.05 0.53 0.37 -0.63 0.00 0.00 0.00 175.10 175.42 2ka5 s ILE 24 N 0.50 5.00 -0.11 2.22 1.09 -0.07 -0.92 121.20 128.91 2ka5 s ILE 24 Ca -0.11 -1.16 -0.21 0.00 -1.10 0.00 0.00 60.65 58.08 2ka5 s ILE 24 Cb -0.16 -4.01 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 2ka5 s ILE 24 CO 0.05 -0.57 0.61 -0.76 -0.10 0.00 0.00 174.94 174.16 2ka5 s LEU 25 N 1.59 4.27 -0.40 2.97 1.43 -0.59 -0.10 118.68 127.85 2ka5 s LEU 25 Ca 0.04 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2ka5 s LEU 25 Cb -0.24 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.19 2ka5 s LEU 25 CO 0.05 -0.10 0.15 -0.04 0.23 0.00 0.00 176.35 176.64 2ka5 s MET 26 N 0.93 1.47 0.82 1.70 -1.94 -0.46 -3.14 119.30 118.68 2ka5 s MET 26 Ca 0.32 -1.99 -0.11 0.00 -1.71 0.00 0.00 55.69 52.20 2ka5 s MET 26 Cb -0.16 -2.90 0.08 0.00 2.01 0.00 0.00 34.83 33.86 2ka5 s MET 26 CO 0.14 -1.03 1.09 -1.25 -0.01 0.00 0.00 175.02 173.96 2ka5 s PRO 27 N 0.58 1.87 0.00 2.03 0.04 -1.26 -4.66 135.00 133.60 2ka5 s PRO 27 Ca 0.14 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2ka5 s PRO 27 Cb -0.22 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2ka5 s PRO 27 CO -0.07 -1.89 0.00 0.27 0.04 0.00 0.00 177.00 175.35 2ka5 n ASN 28 N -3.68 0.00 0.00 6.66 6.94 -1.26 -3.68 115.26 120.24 2ka5 n ASN 28 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 2ka5 n ASN 28 Cb 0.54 0.25 0.00 0.00 -2.36 0.00 0.00 39.78 38.21 2ka5 n ASN 28 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2ka5 n LYS 29 N -2.28 0.00 0.00 -3.83 0.00 -1.26 -4.76 118.16 106.03 2ka5 n LYS 29 Ca 0.00 -0.19 0.15 0.00 -0.00 0.00 0.00 58.31 58.27 2ka5 n LYS 29 Cb 0.00 -0.31 0.85 0.00 -0.00 0.00 0.00 35.03 35.56 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2ka5 n GLU 30 N 0.00 0.72 -3.37 -1.58 0.28 -1.26 -4.76 120.64 110.67 2ka5 n GLU 30 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 2ka5 n GLU 30 Cb 0.40 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.73 2ka5 n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ka5 s LEU 31 N -2.26 6.32 -0.02 -1.84 1.43 -1.26 -4.61 118.68 116.43 2ka5 s LEU 31 Ca 0.38 -2.25 0.01 0.00 -1.03 0.00 0.00 54.13 51.24 2ka5 s LEU 31 Cb 0.21 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2ka5 s LEU 31 CO 0.40 -0.69 0.81 -0.46 0.23 0.00 0.00 176.35 176.64 2ka5 n ASN 32 N 4.56 -0.79 0.00 2.29 0.23 -1.26 -4.83 115.26 115.46 2ka5 n ASN 32 Ca -0.00 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 2ka5 n ASN 32 Cb 0.43 0.25 0.00 0.00 -2.08 0.00 0.00 39.78 38.38 2ka5 n ASN 32 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2ka5 n ILE 33 N -0.09 0.00 0.65 1.53 2.08 -1.26 -4.60 119.36 117.67 2ka5 n ILE 33 Ca -0.21 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.17 2ka5 n ILE 33 Cb 0.61 0.00 0.34 0.00 -0.75 0.00 0.00 39.64 39.84 2ka5 n ILE 33 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ka5 n GLU 34 N 0.00 0.21 0.00 0.38 1.02 -1.26 -0.75 120.64 120.24 2ka5 n GLU 34 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2ka5 n GLU 34 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2ka5 n GLU 34 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2ka5 n ASN 35 N -1.26 0.70 -0.01 1.62 5.15 -1.26 -4.86 115.26 115.34 2ka5 n ASN 35 Ca 0.07 -1.06 -0.05 0.00 -0.60 0.00 0.00 54.58 52.94 2ka5 n ASN 35 Cb 0.10 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.32 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka5 h ALA 36 N 0.00 -0.10 0.00 5.20 0.00 -1.26 -0.16 119.26 122.95 2ka5 h ALA 36 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2ka5 h ALA 36 Cb 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ka5 h ALA 36 CO 0.00 -0.10 -0.12 1.25 0.00 0.00 0.00 179.25 180.28 2ka5 h HIS 37 N -1.01 0.00 0.08 0.00 -0.00 -1.91 -2.33 115.15 109.98 2ka5 h HIS 37 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.10 2ka5 h HIS 37 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 2ka5 h HIS 37 CO 0.06 0.12 -1.26 -0.07 -0.00 0.00 0.00 177.93 176.78 2ka5 h LEU 38 N 0.00 0.26 -0.84 0.26 -0.00 -1.88 -3.35 115.31 109.76 2ka5 h LEU 38 Ca -0.00 -0.30 0.14 0.00 -0.00 0.00 0.00 57.88 57.72 2ka5 h LEU 38 Cb 0.34 -0.08 -0.15 0.00 -0.00 0.00 0.00 40.66 40.77 2ka5 h LEU 38 CO 0.02 1.24 -0.34 0.15 -0.00 0.00 0.00 178.44 179.51 2ka5 h PHE 39 N 0.05 -0.91 -0.58 1.13 3.57 -0.43 0.14 116.94 119.91 2ka5 h PHE 39 Ca -0.13 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2ka5 h PHE 39 Cb 1.92 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 41.16 2ka5 h PHE 39 CO 0.04 -0.39 0.28 -0.22 -2.23 0.00 0.00 178.31 175.79 2ka5 h LYS 40 N -0.05 0.83 -0.15 1.11 3.11 -1.69 0.87 116.57 120.61 2ka5 h LYS 40 Ca 0.32 -0.12 0.02 0.00 -2.81 0.00 0.00 60.65 58.06 2ka5 h LYS 40 Cb 0.59 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 2ka5 h LYS 40 CO -0.87 0.68 0.02 -0.22 -2.81 0.00 0.00 179.45 176.24 2ka5 h LYS 41 N 0.79 0.07 0.47 1.90 3.11 -1.04 -0.53 116.57 121.34 2ka5 h LYS 41 Ca 0.20 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.01 2ka5 h LYS 41 Cb 0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.33 2ka5 h LYS 41 CO -0.02 0.05 -0.29 2.35 -2.81 0.00 0.00 179.45 178.73 2ka5 h TRP 42 N 0.08 -0.77 -1.01 1.91 7.01 -0.40 -0.79 115.95 121.97 2ka5 h TRP 42 Ca 0.07 -0.01 0.24 0.00 2.11 0.00 0.00 58.89 61.30 2ka5 h TRP 42 Cb 0.07 0.27 -0.10 0.00 -2.10 0.00 0.00 29.16 27.30 2ka5 h TRP 42 CO -0.14 -0.43 0.63 0.28 -2.79 0.00 0.00 178.44 176.00 2ka5 h VAL 43 N -0.71 0.58 0.75 2.65 2.07 -0.83 0.24 116.25 121.00 2ka5 h VAL 43 Ca -0.06 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2ka5 h VAL 43 Cb 0.57 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2ka5 h VAL 43 CO 0.07 0.09 -0.36 -0.26 0.02 0.00 0.00 177.57 177.13 2ka5 h PHE 44 N 0.52 -0.93 0.00 1.57 -1.00 -0.91 -2.07 116.94 114.12 2ka5 h PHE 44 Ca 0.59 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.35 2ka5 h PHE 44 Cb 1.28 0.31 0.00 0.00 3.61 0.00 0.00 35.95 41.15 2ka5 h PHE 44 CO -0.00 -0.58 0.00 -0.44 -1.61 0.00 0.00 178.31 175.67 2ka5 h ASP 45 N -1.05 0.00 0.29 2.17 3.32 -0.14 -0.65 116.42 120.35 2ka5 h ASP 45 Ca -0.10 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.62 2ka5 h ASP 45 Cb 0.77 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 2ka5 h ASP 45 CO 0.17 0.00 -1.98 1.21 -1.72 0.00 0.00 179.24 176.92 2ka5 n GLU 46 N -2.56 0.66 0.05 3.56 4.07 0.74 -4.72 120.64 122.44 2ka5 n GLU 46 Ca 0.04 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 2ka5 n GLU 46 Cb 0.38 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 2ka5 n GLU 46 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2ka5 n PHE 47 N -3.01 -0.68 0.08 4.31 3.72 -0.83 -4.73 117.46 116.33 2ka5 n PHE 47 Ca -0.24 0.12 -0.13 0.00 -0.05 0.00 0.00 57.45 57.15 2ka5 n PHE 47 Cb 1.08 0.33 -0.07 0.00 -0.94 0.00 0.00 39.48 39.87 2ka5 n PHE 47 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2ka5 h LEU 48 N 0.00 -0.11 -0.98 4.37 3.38 -0.81 -0.97 115.31 120.19 2ka5 h LEU 48 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2ka5 h LEU 48 Cb 0.23 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2ka5 h LEU 48 CO 0.00 -0.06 0.50 0.78 0.09 0.00 0.00 178.44 179.75 2ka5 h ASN 49 N -0.15 1.08 0.00 -0.43 2.35 -1.45 -1.90 115.58 115.08 2ka5 h ASN 49 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2ka5 h ASN 49 Cb 0.12 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2ka5 h ASN 49 CO 0.02 0.85 0.00 0.29 -1.65 0.00 0.00 177.43 176.94 2ka5 n LYS 50 N -4.34 0.00 -0.53 0.81 4.01 -0.89 -4.82 118.16 112.41 2ka5 n LYS 50 Ca 0.09 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 2ka5 n LYS 50 Cb 0.08 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 2ka5 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ka5 n GLY 51 N -1.09 0.76 3.65 0.72 0.00 -0.71 -5.02 105.19 103.50 2ka5 n GLY 51 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2ka5 n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ka5 s TYR 52 N -2.76 2.52 -0.20 1.61 2.02 -0.42 -4.86 117.35 115.26 2ka5 s TYR 52 Ca 0.00 0.73 0.17 0.00 -0.37 0.00 0.00 57.07 57.59 2ka5 s TYR 52 Cb 0.00 -3.70 0.43 0.00 -0.40 0.00 0.00 41.96 38.29 2ka5 s TYR 52 CO 0.00 -2.42 1.32 0.09 -1.57 0.00 0.00 175.55 172.97 2ka5 n ASN 53 N 7.02 3.31 -3.73 2.29 4.13 -1.26 -4.16 115.26 122.86 2ka5 n ASN 53 Ca 0.15 -2.96 -0.12 0.00 1.68 0.00 0.00 54.58 53.33 2ka5 n ASN 53 Cb 0.44 -0.48 -0.13 0.00 -1.54 0.00 0.00 39.78 38.08 2ka5 n ASN 53 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ka5 s LYS 54 N -2.70 0.20 0.04 3.52 1.02 -1.25 -1.26 119.74 119.31 2ka5 s LYS 54 Ca 0.37 0.52 0.00 0.00 0.02 0.00 0.00 55.97 56.89 2ka5 s LYS 54 Cb 0.30 -0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 2ka5 s LYS 54 CO 0.07 -0.16 -0.04 0.42 -0.92 0.00 0.00 175.35 174.71 2ka5 s ILE 55 N 1.26 0.31 0.13 2.17 1.09 -1.21 -3.12 121.20 121.83 2ka5 s ILE 55 Ca -0.09 -1.35 0.05 0.00 -1.10 0.00 0.00 60.65 58.16 2ka5 s ILE 55 Cb -0.10 -0.89 -0.04 0.00 -1.06 0.00 0.00 42.46 40.37 2ka5 s ILE 55 CO -0.08 -0.67 -0.12 -0.36 -0.10 0.00 0.00 174.94 173.60 2ka5 s PHE 56 N -2.45 1.33 -0.66 3.97 0.08 -0.10 -3.00 117.98 117.16 2ka5 s PHE 56 Ca -0.04 -0.63 0.05 0.00 0.12 0.00 0.00 56.93 56.43 2ka5 s PHE 56 Cb -0.03 -0.69 0.20 0.00 -0.57 0.00 0.00 43.02 41.94 2ka5 s PHE 56 CO -0.04 0.12 0.59 -0.11 -0.10 0.00 0.00 175.22 175.68 2ka5 n LEU 57 N 0.27 3.05 -4.65 -0.37 7.94 -0.31 -1.55 117.00 121.39 2ka5 n LEU 57 Ca -0.14 -5.25 -0.42 0.00 -1.11 0.00 0.00 56.01 49.09 2ka5 n LEU 57 Cb 0.58 -0.61 -0.03 0.00 0.53 0.00 0.00 43.42 43.89 2ka5 n LEU 57 CO 0.29 1.89 1.49 -0.69 -1.11 0.00 0.00 177.39 179.26 2ka5 s VAL 58 N -1.78 3.37 -2.39 1.96 1.01 -1.19 -0.85 120.40 120.53 2ka5 s VAL 58 Ca 0.31 0.43 0.22 0.00 0.00 0.00 0.00 61.98 62.95 2ka5 s VAL 58 Cb 0.04 -3.31 0.43 0.00 0.00 0.00 0.00 36.38 33.55 2ka5 s VAL 58 CO -0.11 -0.07 1.45 0.18 0.00 0.00 0.00 175.10 176.55 2ka5 n LEU 59 N 7.87 2.79 0.25 3.92 4.77 0.11 -4.20 117.00 132.51 2ka5 n LEU 59 Ca 0.19 -1.20 0.18 0.00 -0.03 0.00 0.00 56.01 55.15 2ka5 n LEU 59 Cb 0.43 -0.20 0.90 0.00 -2.33 0.00 0.00 43.42 42.21 2ka5 n LEU 59 CO 0.65 0.60 1.15 0.28 -1.33 0.00 0.00 177.39 178.74 2ka5 h SER 60 N 3.60 0.00 0.41 -1.43 0.02 -1.76 -1.34 113.55 113.05 2ka5 h SER 60 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ka5 h SER 60 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2ka5 h SER 60 CO 0.00 0.00 -0.30 0.47 -1.14 0.00 0.00 176.83 175.86 2ka5 n ASP 61 N -3.51 0.66 -4.17 3.07 9.92 -1.26 -4.95 116.55 116.31 2ka5 n ASP 61 Ca 0.00 -0.50 -0.13 0.00 -0.53 0.00 0.00 54.79 53.64 2ka5 n ASP 61 Cb 0.29 0.10 -0.10 0.00 -0.64 0.00 0.00 41.12 40.76 2ka5 n ASP 61 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ka5 s VAL 62 N -2.72 0.84 -0.11 2.53 0.11 -0.50 -4.53 120.40 116.01 2ka5 s VAL 62 Ca 0.19 -1.76 -0.17 0.00 -2.93 0.00 0.00 61.98 57.32 2ka5 s VAL 62 Cb 0.19 -1.48 -0.27 0.00 -1.53 0.00 0.00 36.38 33.30 2ka5 s VAL 62 CO 0.58 -0.69 0.56 -0.08 -3.33 0.00 0.00 175.10 172.14 2ka5 h GLU 63 N 3.32 0.21 -2.97 1.54 4.57 -1.89 -3.47 114.58 115.89 2ka5 h GLU 63 Ca -0.36 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 2ka5 h GLU 63 Cb 1.18 0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 29.80 2ka5 h GLU 63 CO 0.58 1.17 0.22 -1.12 -1.18 0.00 0.00 179.01 178.68 2ka5 s SER 64 N -6.97 -0.51 1.06 1.04 0.01 -1.26 -4.21 113.70 102.85 2ka5 s SER 64 Ca -0.20 -0.10 -0.16 0.00 1.31 0.00 0.00 55.95 56.80 2ka5 s SER 64 Cb 0.04 0.61 0.22 0.00 0.21 0.00 0.00 66.02 67.10 2ka5 s SER 64 CO 0.75 -1.02 1.14 -0.51 0.41 0.00 0.00 173.24 174.01 2ka5 s ILE 65 N -3.75 1.84 0.00 1.44 2.07 -1.26 -5.01 121.20 116.53 2ka5 s ILE 65 Ca 0.03 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 2ka5 s ILE 65 Cb -0.02 -2.62 0.00 0.00 0.13 0.00 0.00 42.46 39.95 2ka5 s ILE 65 CO -0.10 0.00 0.00 -0.67 -1.91 0.00 0.00 174.94 172.26 2ka5 n ASP 66 N -4.27 0.00 -0.95 4.50 -0.08 -1.26 -5.03 116.55 109.46 2ka5 n ASP 66 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2ka5 n ASP 66 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2ka5 n ASP 66 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2ka5 n SER 67 N 0.00 0.00 -0.08 1.67 2.88 -1.26 -4.51 113.62 112.32 2ka5 n SER 67 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2ka5 n SER 67 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 2ka5 n SER 67 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2ka5 n PHE 68 N 0.00 0.29 -0.04 0.66 7.35 -1.26 -1.29 117.46 123.17 2ka5 n PHE 68 Ca 0.00 0.29 0.17 0.00 -0.76 0.00 0.00 57.45 57.16 2ka5 n PHE 68 Cb 0.00 -0.77 0.62 0.00 0.35 0.00 0.00 39.48 39.68 2ka5 n PHE 68 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2ka5 h SER 69 N 0.00 0.15 0.00 -2.13 0.87 -1.95 0.12 113.55 110.61 2ka5 h SER 69 Ca 0.21 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2ka5 h SER 69 Cb 0.57 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2ka5 h SER 69 CO -0.19 0.08 0.12 0.25 -0.53 0.00 0.00 176.83 176.56 2ka5 h LEU 70 N 0.16 0.00 0.00 2.23 5.85 -1.42 0.97 115.31 123.10 2ka5 h LEU 70 Ca 0.27 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.83 2ka5 h LEU 70 Cb 0.86 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 2ka5 h LEU 70 CO -0.04 0.00 -2.05 0.61 -0.34 0.00 0.00 178.44 176.62 2ka5 n GLY 71 N -1.17 -1.04 0.29 3.75 0.00 0.40 -4.24 105.19 103.19 2ka5 n GLY 71 Ca -0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 2ka5 n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ka5 h VAL 72 N 0.00 1.26 -0.51 1.61 2.07 -0.58 -1.17 116.25 118.94 2ka5 h VAL 72 Ca -0.24 -1.09 0.10 0.00 0.82 0.00 0.00 66.70 66.29 2ka5 h VAL 72 Cb 1.57 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 2ka5 h VAL 72 CO 0.02 0.40 -0.01 0.40 0.02 0.00 0.00 177.57 178.40 2ka5 h ILE 73 N 0.90 0.59 -0.26 4.57 5.03 -1.33 0.25 117.51 127.25 2ka5 h ILE 73 Ca 0.17 -0.04 -0.03 0.00 -0.12 0.00 0.00 64.86 64.84 2ka5 h ILE 73 Cb 0.51 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 34.76 2ka5 h ILE 73 CO 0.02 0.02 0.05 0.58 -0.68 0.00 0.00 178.15 178.15 2ka5 h VAL 74 N 0.11 1.22 -0.49 1.67 2.07 -1.69 -1.40 116.25 117.75 2ka5 h VAL 74 Ca 0.26 -0.74 0.10 0.00 0.82 0.00 0.00 66.70 67.13 2ka5 h VAL 74 Cb 0.39 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 2ka5 h VAL 74 CO -0.43 0.24 -0.19 -1.13 0.02 0.00 0.00 177.57 176.08 2ka5 h ASN 75 N 0.25 -0.66 -0.79 0.57 -0.73 0.09 0.17 115.58 114.47 2ka5 h ASN 75 Ca 0.08 0.17 0.06 0.00 1.87 0.00 0.00 56.30 58.48 2ka5 h ASN 75 Cb 0.31 0.38 -0.05 0.00 0.27 0.00 0.00 38.32 39.23 2ka5 h ASN 75 CO 0.00 -0.22 0.52 0.40 -0.37 0.00 0.00 177.43 177.76 2ka5 h ILE 76 N -0.08 1.06 0.30 2.57 2.04 -0.92 -1.96 117.51 120.52 2ka5 h ILE 76 Ca 0.23 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2ka5 h ILE 76 Cb 0.44 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2ka5 h ILE 76 CO -0.54 0.16 -0.14 0.25 0.00 0.00 0.00 178.15 177.87 2ka5 h LEU 77 N 0.88 -0.34 -2.47 1.44 5.85 0.27 -1.58 115.31 119.37 2ka5 h LEU 77 Ca 0.33 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2ka5 h LEU 77 Cb 0.19 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2ka5 h LEU 77 CO -0.11 -0.10 0.13 0.11 -0.34 0.00 0.00 178.44 178.13 2ka5 h LYS 78 N -0.58 0.00 0.04 1.25 1.57 -0.20 0.20 116.57 118.85 2ka5 h LYS 78 Ca -0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2ka5 h LYS 78 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2ka5 h LYS 78 CO 0.07 0.00 -0.43 0.77 -0.57 0.00 0.00 179.45 179.29 2ka5 h SER 79 N 0.00 0.14 -0.64 0.86 0.02 -1.10 -2.37 113.55 110.47 2ka5 h SER 79 Ca 0.03 -0.93 0.03 0.00 -0.84 0.00 0.00 61.79 60.08 2ka5 h SER 79 Cb 0.29 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 2ka5 h SER 79 CO -0.00 1.19 0.39 0.40 -1.14 0.00 0.00 176.83 177.67 2ka5 h ILE 80 N -0.80 1.08 0.00 3.27 2.04 -0.42 0.16 117.51 122.84 2ka5 h ILE 80 Ca -0.09 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2ka5 h ILE 80 Cb 1.24 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2ka5 h ILE 80 CO 0.02 0.14 0.00 -0.24 0.00 0.00 0.00 178.15 178.07 2ka5 n SER 81 N -4.71 0.11 -0.10 1.72 2.88 0.62 -1.10 113.62 113.05 2ka5 n SER 81 Ca 0.06 0.54 -0.22 0.00 -1.33 0.00 0.00 58.87 57.92 2ka5 n SER 81 Cb 0.08 -0.56 -0.12 0.00 -0.75 0.00 0.00 64.21 62.87 2ka5 n SER 81 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ka5 n SER 82 N -1.64 2.00 0.21 -3.46 2.88 -0.16 -4.53 113.62 108.92 2ka5 n SER 82 Ca 0.02 0.11 0.06 0.00 -1.33 0.00 0.00 58.87 57.73 2ka5 n SER 82 Cb 0.11 -0.67 0.47 0.00 -0.75 0.00 0.00 64.21 63.37 2ka5 n SER 82 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ka5 h SER 83 N -0.30 0.00 0.00 -3.46 0.02 -0.35 -3.47 113.55 105.99 2ka5 h SER 83 Ca -0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2ka5 h SER 83 Cb 1.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.35 2ka5 h SER 83 CO -0.13 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.45 2ka5 n GLY 84 N -0.50 1.12 1.93 -3.77 0.00 -0.49 -5.09 105.19 98.39 2ka5 n GLY 84 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2ka5 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka5 n GLY 85 N -0.06 3.50 3.28 -0.02 0.00 -0.25 -4.97 105.19 106.67 2ka5 n GLY 85 Ca 0.00 -1.93 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 2ka5 n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ka5 s PHE 86 N -2.60 1.60 -0.14 1.61 0.40 -0.39 -4.20 117.98 114.25 2ka5 s PHE 86 Ca 0.17 -0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 55.87 2ka5 s PHE 86 Cb 0.01 -0.82 0.04 0.00 0.51 0.00 0.00 43.02 42.75 2ka5 s PHE 86 CO 0.12 0.22 0.37 0.12 0.70 0.00 0.00 175.22 176.75 2ka5 s PHE 87 N -1.96 -0.42 0.23 0.36 5.36 -1.26 -3.33 117.98 116.96 2ka5 s PHE 87 Ca 0.11 1.02 -0.07 0.00 -0.96 0.00 0.00 56.93 57.03 2ka5 s PHE 87 Cb -0.06 0.15 -0.02 0.00 -0.34 0.00 0.00 43.02 42.74 2ka5 s PHE 87 CO 0.04 -0.21 0.31 0.00 -1.46 0.00 0.00 175.22 173.91 2ka5 s ALA 88 N 0.27 0.48 0.37 11.12 0.00 -1.16 -4.22 121.76 128.62 2ka5 s ALA 88 Ca -0.01 -1.30 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2ka5 s ALA 88 Cb -0.03 1.23 -0.05 0.00 0.00 0.00 0.00 23.12 24.27 2ka5 s ALA 88 CO -0.00 -0.73 0.14 -0.51 0.00 0.00 0.00 175.76 174.67 2ka5 s LEU 89 N -3.10 3.15 -0.01 0.00 1.43 -0.13 -1.16 118.68 118.87 2ka5 s LEU 89 Ca 0.31 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.33 2ka5 s LEU 89 Cb 0.03 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.72 2ka5 s LEU 89 CO 0.11 -0.41 0.28 0.54 0.23 0.00 0.00 176.35 177.11 2ka5 s VAL 90 N -2.52 0.06 -1.34 -1.59 0.11 -0.03 -0.78 120.40 114.31 2ka5 s VAL 90 Ca 0.39 -0.51 -0.14 0.00 -2.93 0.00 0.00 61.98 58.79 2ka5 s VAL 90 Cb 0.01 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2ka5 s VAL 90 CO 0.22 -0.28 0.46 -0.24 -3.33 0.00 0.00 175.10 171.93 2ka5 n SER 91 N 1.29 -2.04 -4.72 3.54 2.88 -0.35 0.10 113.62 114.32 2ka5 n SER 91 Ca -0.22 -1.17 -0.29 0.00 -1.33 0.00 0.00 58.87 55.86 2ka5 n SER 91 Cb 0.56 -2.34 0.15 0.00 -0.75 0.00 0.00 64.21 61.83 2ka5 n SER 91 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ka5 s PRO 92 N -6.92 1.03 0.37 -1.46 0.04 -1.26 -3.38 135.00 123.42 2ka5 s PRO 92 Ca 0.23 0.62 0.06 0.00 0.04 0.00 0.00 61.00 61.95 2ka5 s PRO 92 Cb -0.11 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 2ka5 s PRO 92 CO 0.94 -2.35 0.02 -0.80 0.04 0.00 0.00 177.00 174.85 2ka5 s ASN 93 N -3.57 3.30 0.29 6.66 0.01 -1.26 -5.00 114.94 115.37 2ka5 s ASN 93 Ca 0.64 -1.36 0.02 0.00 -0.71 0.00 0.00 52.86 51.45 2ka5 s ASN 93 Cb -0.17 -0.28 0.43 0.00 0.41 0.00 0.00 41.25 41.64 2ka5 s ASN 93 CO 0.56 -0.49 1.75 -0.08 -1.51 0.00 0.00 177.10 177.33 2ka5 h GLU 94 N 1.92 0.51 -0.52 -0.60 4.81 -1.98 -0.55 114.58 118.16 2ka5 h GLU 94 Ca -0.43 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.61 2ka5 h GLU 94 Cb 1.24 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2ka5 h GLU 94 CO 0.76 0.68 0.23 -0.22 -0.73 0.00 0.00 179.01 179.73 2ka5 h LYS 95 N 0.46 0.74 0.10 1.92 3.11 -1.97 -2.18 116.57 118.74 2ka5 h LYS 95 Ca 0.07 -0.10 -0.16 0.00 -2.81 0.00 0.00 60.65 57.66 2ka5 h LYS 95 Cb 0.61 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.71 2ka5 h LYS 95 CO 0.04 0.60 -0.72 -0.24 -2.81 0.00 0.00 179.45 176.31 2ka5 h VAL 96 N 0.74 1.48 -0.35 2.00 3.04 -1.32 -3.31 116.25 118.54 2ka5 h VAL 96 Ca 0.18 -2.46 0.07 0.00 -1.01 0.00 0.00 66.70 63.49 2ka5 h VAL 96 Cb 0.11 3.13 -0.02 0.00 -2.01 0.00 0.00 31.29 32.51 2ka5 h VAL 96 CO -0.02 0.67 0.24 -0.33 -1.01 0.00 0.00 177.57 177.12 2ka5 h GLU 97 N -0.55 0.14 0.00 4.17 4.39 -1.17 -1.44 114.58 120.12 2ka5 h GLU 97 Ca -0.14 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2ka5 h GLU 97 Cb 1.49 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.10 2ka5 h GLU 97 CO 0.08 0.09 -0.05 0.07 -1.16 0.00 0.00 179.01 178.05 2ka5 h ARG 98 N 0.14 0.00 0.00 2.33 -0.00 -1.48 -2.52 114.38 112.84 2ka5 h ARG 98 Ca 0.16 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.83 2ka5 h ARG 98 Cb 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.37 2ka5 h ARG 98 CO -0.02 0.05 -2.14 0.28 -0.00 0.00 0.00 179.97 178.14 2ka5 n VAL 99 N -3.26 1.14 0.25 0.08 0.31 -0.75 -4.24 118.33 111.85 2ka5 n VAL 99 Ca -0.01 -0.40 0.16 0.00 -0.01 0.00 0.00 64.34 64.08 2ka5 n VAL 99 Cb 0.23 -1.35 0.85 0.00 -0.91 0.00 0.00 33.84 32.66 2ka5 n VAL 99 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ka5 h LEU 100 N -0.19 0.00 0.00 7.52 -0.00 -1.14 0.12 115.31 121.62 2ka5 h LEU 100 Ca -0.46 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.26 2ka5 h LEU 100 Cb 1.63 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.26 2ka5 h LEU 100 CO -0.13 0.00 -0.88 -1.28 -0.00 0.00 0.00 178.44 176.14 2ka5 h SER 101 N 0.00 0.00 0.14 -0.43 0.87 -1.65 0.26 113.55 112.74 2ka5 h SER 101 Ca 0.00 -0.60 0.01 0.00 -1.23 0.00 0.00 61.79 59.97 2ka5 h SER 101 Cb 0.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2ka5 h SER 101 CO 0.00 1.32 -0.16 -0.07 -0.53 0.00 0.00 176.83 177.39 2ka5 h LEU 102 N -1.00 -0.43 0.00 2.23 -0.00 -1.47 -0.86 115.31 113.79 2ka5 h LEU 102 Ca -0.24 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2ka5 h LEU 102 Cb 1.17 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2ka5 h LEU 102 CO -0.14 -0.24 0.00 1.07 -0.00 0.00 0.00 178.44 179.13 2ka5 n THR 103 N -5.28 0.00 -3.39 0.22 5.66 -0.07 -4.92 114.28 106.50 2ka5 n THR 103 Ca -0.07 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.69 2ka5 n THR 103 Cb 0.20 -0.42 0.02 0.00 -1.55 0.00 0.00 70.33 68.57 2ka5 n THR 103 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ka5 n ASN 104 N -0.85 -6.15 -0.02 1.09 5.03 -0.33 -5.00 115.26 109.04 2ka5 n ASN 104 Ca 0.14 -0.23 -0.04 0.00 0.87 0.00 0.00 54.58 55.32 2ka5 n ASN 104 Cb 0.07 -2.94 -0.01 0.00 -1.02 0.00 0.00 39.78 35.87 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2ka5 n LEU 105 N -1.10 1.49 0.28 3.41 -0.00 0.77 -4.55 117.00 117.30 2ka5 n LEU 105 Ca -0.10 0.23 0.12 0.00 -0.00 0.00 0.00 56.01 56.26 2ka5 n LEU 105 Cb 0.62 -0.52 0.78 0.00 -0.00 0.00 0.00 43.42 44.30 2ka5 n LEU 105 CO 0.56 -0.52 1.07 -2.24 -0.00 0.00 0.00 177.39 176.26 2ka5 h ASP 106 N -0.46 0.00 0.16 1.96 2.03 -1.42 0.12 116.42 118.80 2ka5 h ASP 106 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ka5 h ASP 106 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2ka5 h ASP 106 CO -0.00 0.04 0.00 0.54 -1.03 0.00 0.00 179.24 178.78 2ka5 n ARG 107 N -4.02 0.58 0.00 4.15 1.74 -1.26 -3.69 116.66 114.16 2ka5 n ARG 107 Ca -0.03 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2ka5 n ARG 107 Cb 0.12 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2ka5 n ARG 107 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2ka5 n ILE 108 N -1.11 0.00 -4.04 0.55 5.41 -0.73 -5.08 119.36 114.36 2ka5 n ILE 108 Ca 0.15 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.59 2ka5 n ILE 108 Cb 0.12 -0.83 -0.06 0.00 -0.71 0.00 0.00 39.64 38.15 2ka5 n ILE 108 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2ka5 s VAL 109 N -1.87 4.71 0.68 1.39 1.01 -0.05 -5.10 120.40 121.17 2ka5 s VAL 109 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2ka5 s VAL 109 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.15 2ka5 s VAL 109 CO 0.00 0.18 1.12 -0.54 0.00 0.00 0.00 175.10 175.86 2ka5 s LYS 110 N -2.26 2.65 -0.03 2.72 -0.14 -1.26 -4.52 119.74 116.90 2ka5 s LYS 110 Ca 0.29 1.39 -0.09 0.00 -1.36 0.00 0.00 55.97 56.19 2ka5 s LYS 110 Cb -0.12 -1.93 0.01 0.00 -1.68 0.00 0.00 37.83 34.11 2ka5 s LYS 110 CO 0.21 -1.37 0.21 -1.50 -0.76 0.00 0.00 175.35 172.14 2ka5 s ILE 111 N -2.39 0.05 0.11 2.17 2.07 -1.26 -0.95 121.20 120.99 2ka5 s ILE 111 Ca 0.67 -0.41 -0.03 0.00 -1.41 0.00 0.00 60.65 59.47 2ka5 s ILE 111 Cb -0.21 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 41.91 2ka5 s ILE 111 CO 0.44 -0.22 0.08 -0.31 -1.91 0.00 0.00 174.94 173.01 2ka5 s TYR 112 N -0.86 0.67 -0.13 3.50 2.02 0.04 -4.89 117.35 117.69 2ka5 s TYR 112 Ca -0.09 -1.09 -0.15 0.00 -0.37 0.00 0.00 57.07 55.37 2ka5 s TYR 112 Cb -0.05 -0.38 -0.12 0.00 -0.40 0.00 0.00 41.96 41.01 2ka5 s TYR 112 CO 0.02 -0.52 0.29 -0.44 -1.57 0.00 0.00 175.55 173.33 2ka5 h ASP 113 N 2.88 0.00 -0.86 2.29 5.19 -1.94 -0.92 116.42 123.07 2ka5 h ASP 113 Ca -0.34 -0.44 -0.60 0.00 -0.62 0.00 0.00 57.03 55.03 2ka5 h ASP 113 Cb 1.19 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.62 2ka5 h ASP 113 CO 0.59 0.84 -0.42 0.42 -3.12 0.00 0.00 179.24 177.55 2ka5 s THR 114 N -1.99 1.74 0.14 0.35 -4.23 -1.26 -1.72 115.64 108.67 2ka5 s THR 114 Ca -0.13 -1.69 -0.17 0.00 -1.18 0.00 0.00 61.69 58.53 2ka5 s THR 114 Cb -0.00 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2ka5 s THR 114 CO 0.36 0.00 1.74 0.40 -0.54 0.00 0.00 174.62 176.57 2ka5 h ILE 115 N 1.13 1.15 -0.13 2.99 1.08 -1.97 -3.21 117.51 118.56 2ka5 h ILE 115 Ca -0.41 -0.39 -0.12 0.00 -0.39 0.00 0.00 64.86 63.55 2ka5 h ILE 115 Cb 1.29 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 2ka5 h ILE 115 CO 0.66 0.15 -0.43 -1.28 -0.69 0.00 0.00 178.15 176.57 2ka5 h SER 116 N 0.47 0.32 0.71 1.72 0.87 -1.99 0.20 113.55 115.85 2ka5 h SER 116 Ca 0.13 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2ka5 h SER 116 Cb 0.07 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2ka5 h SER 116 CO -0.02 0.71 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.48 2ka5 h GLU 117 N 0.25 0.00 0.00 2.24 5.08 -1.98 -3.03 114.58 117.14 2ka5 h GLU 117 Ca 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2ka5 h GLU 117 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2ka5 h GLU 117 CO 0.07 0.18 -0.30 0.00 -1.00 0.00 0.00 179.01 177.96 2ka5 h ALA 118 N 1.82 0.05 -1.00 3.43 0.00 -1.06 -3.33 119.26 119.18 2ka5 h ALA 118 Ca -0.00 -0.55 0.09 0.00 0.00 0.00 0.00 54.91 54.45 2ka5 h ALA 118 Cb 0.58 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2ka5 h ALA 118 CO 0.02 0.18 0.64 1.98 0.00 0.00 0.00 179.25 182.07 2ka5 h MET 119 N -1.00 1.05 0.00 0.00 -1.53 -0.56 0.27 114.93 113.16 2ka5 h MET 119 Ca -0.07 -0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 56.09 2ka5 h MET 119 Cb 0.84 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 31.65 2ka5 h MET 119 CO -0.04 0.69 -1.04 1.05 0.14 0.00 0.00 176.91 177.71 2ka5 h GLU 120 N 1.08 0.00 0.00 0.39 4.11 -1.80 -3.39 114.58 114.97 2ka5 h GLU 120 Ca 0.46 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.85 2ka5 h GLU 120 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ka5 h GLU 120 CO -0.22 0.07 -0.36 1.49 0.07 0.00 0.00 179.01 180.06 2ka5 h GLU 121 N 0.00 0.00 -0.95 1.06 4.81 -0.69 -3.35 114.58 115.47 2ka5 h GLU 121 Ca -0.04 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.48 2ka5 h GLU 121 Cb 1.14 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.35 2ka5 h GLU 121 CO 0.01 0.44 0.23 0.28 -0.73 0.00 0.00 179.01 179.24 2ka5 h VAL 122 N -1.00 0.15 -0.97 0.32 2.07 -1.26 0.37 116.25 115.93 2ka5 h VAL 122 Ca -0.07 -0.04 0.24 0.00 0.82 0.00 0.00 66.70 67.66 2ka5 h VAL 122 Cb 0.61 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.30 2ka5 h VAL 122 CO -0.04 0.02 0.52 0.03 0.02 0.00 0.00 177.57 178.12 2ka5 h ARG 123 N 0.10 0.49 -1.05 1.57 3.08 -1.75 -1.37 114.38 115.44 2ka5 h ARG 123 Ca 0.63 -0.03 -0.58 0.00 0.07 0.00 0.00 59.98 60.07 2ka5 h ARG 123 Cb 1.39 -0.11 -0.41 0.00 0.08 0.00 0.00 29.97 30.92 2ka5 h ARG 123 CO -0.77 0.32 -0.60 2.89 -1.07 0.00 0.00 179.97 180.74 2ka5 n ARG 124 N -4.95 3.46 0.00 0.04 0.00 0.12 -5.12 116.66 110.21 2ka5 n ARG 124 Ca 0.26 -4.19 0.04 0.00 -0.00 0.00 0.00 57.85 53.96 2ka5 n ARG 124 Cb 0.73 -2.27 0.04 0.00 -0.00 0.00 0.00 32.46 30.95 2ka5 n ARG 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26